################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4289 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4289 1 . . 2 $sample_2 . 4289 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 THR N N 15 115.0 0.1 . 1 . . . . 239 THR N . 4289 1 2 . 1 1 3 3 THR H H 1 8.33 0.03 . 1 . . . . 239 THR H . 4289 1 3 . 1 1 3 3 THR HA H 1 4.35 0.03 . 1 . . . . 239 THR HA . 4289 1 4 . 1 1 3 3 THR HB H 1 4.21 0.03 . 1 . . . . 239 THR HB . 4289 1 5 . 1 1 3 3 THR HG21 H 1 1.22 0.03 . 1 . . . . 239 THR HG21 . 4289 1 6 . 1 1 3 3 THR HG22 H 1 1.22 0.03 . 1 . . . . 239 THR HG22 . 4289 1 7 . 1 1 3 3 THR HG23 H 1 1.22 0.03 . 1 . . . . 239 THR HG23 . 4289 1 8 . 1 1 4 4 ARG N N 15 122.0 0.1 . 1 . . . . 240 ARG N . 4289 1 9 . 1 1 4 4 ARG H H 1 8.52 0.03 . 1 . . . . 240 ARG H . 4289 1 10 . 1 1 4 4 ARG HA H 1 4.37 0.03 . 1 . . . . 240 ARG HA . 4289 1 11 . 1 1 4 4 ARG HB2 H 1 1.87 0.03 . 2 . . . . 240 ARG HB2 . 4289 1 12 . 1 1 4 4 ARG HB3 H 1 1.78 0.03 . 2 . . . . 240 ARG HB3 . 4289 1 13 . 1 1 4 4 ARG HG2 H 1 1.64 0.03 . 1 . . . . 240 ARG HG2 . 4289 1 14 . 1 1 4 4 ARG HG3 H 1 1.64 0.03 . 1 . . . . 240 ARG HG3 . 4289 1 15 . 1 1 4 4 ARG HD2 H 1 3.22 0.03 . 1 . . . . 240 ARG HD2 . 4289 1 16 . 1 1 4 4 ARG HD3 H 1 3.22 0.03 . 1 . . . . 240 ARG HD3 . 4289 1 17 . 1 1 5 5 LEU N N 15 120.0 0.1 . 1 . . . . 241 LEU N . 4289 1 18 . 1 1 5 5 LEU H H 1 8.66 0.03 . 1 . . . . 241 LEU H . 4289 1 19 . 1 1 5 5 LEU HA H 1 4.47 0.03 . 1 . . . . 241 LEU HA . 4289 1 20 . 1 1 5 5 LEU HB2 H 1 1.67 0.03 . 1 . . . . 241 LEU HB2 . 4289 1 21 . 1 1 5 5 LEU HB3 H 1 1.67 0.03 . 1 . . . . 241 LEU HB3 . 4289 1 22 . 1 1 5 5 LEU HD11 H 1 0.95 0.03 . 2 . . . . 241 LEU HD11 . 4289 1 23 . 1 1 5 5 LEU HD12 H 1 0.95 0.03 . 2 . . . . 241 LEU HD12 . 4289 1 24 . 1 1 5 5 LEU HD13 H 1 0.95 0.03 . 2 . . . . 241 LEU HD13 . 4289 1 25 . 1 1 5 5 LEU HD21 H 1 0.91 0.03 . 2 . . . . 241 LEU HD21 . 4289 1 26 . 1 1 5 5 LEU HD22 H 1 0.91 0.03 . 2 . . . . 241 LEU HD22 . 4289 1 27 . 1 1 5 5 LEU HD23 H 1 0.91 0.03 . 2 . . . . 241 LEU HD23 . 4289 1 28 . 1 1 6 6 SER N N 15 114.1 0.1 . 1 . . . . 242 SER N . 4289 1 29 . 1 1 6 6 SER H H 1 8.32 0.03 . 1 . . . . 242 SER H . 4289 1 30 . 1 1 6 6 SER HA H 1 4.40 0.03 . 1 . . . . 242 SER HA . 4289 1 31 . 1 1 6 6 SER HB2 H 1 3.95 0.03 . 2 . . . . 242 SER HB2 . 4289 1 32 . 1 1 6 6 SER HB3 H 1 3.89 0.03 . 2 . . . . 242 SER HB3 . 4289 1 33 . 1 1 7 7 GLU N N 15 120.7 0.1 . 1 . . . . 243 GLU N . 4289 1 34 . 1 1 7 7 GLU H H 1 8.38 0.03 . 1 . . . . 243 GLU H . 4289 1 35 . 1 1 7 7 GLU HA H 1 4.33 0.03 . 1 . . . . 243 GLU HA . 4289 1 36 . 1 1 7 7 GLU HB2 H 1 2.13 0.03 . 2 . . . . 243 GLU HB2 . 4289 1 37 . 1 1 7 7 GLU HB3 H 1 2.02 0.03 . 2 . . . . 243 GLU HB3 . 4289 1 38 . 1 1 7 7 GLU HG2 H 1 2.35 0.03 . 1 . . . . 243 GLU HG2 . 4289 1 39 . 1 1 7 7 GLU HG3 H 1 2.35 0.03 . 1 . . . . 243 GLU HG3 . 4289 1 40 . 1 1 8 8 ARG N N 15 121.9 0.1 . 1 . . . . 244 ARG N . 4289 1 41 . 1 1 8 8 ARG H H 1 8.40 0.03 . 1 . . . . 244 ARG H . 4289 1 42 . 1 1 8 8 ARG HA H 1 4.31 0.03 . 1 . . . . 244 ARG HA . 4289 1 43 . 1 1 9 9 LEU N N 15 121.0 0.1 . 1 . . . . 245 LEU N . 4289 1 44 . 1 1 9 9 LEU H H 1 8.26 0.03 . 1 . . . . 245 LEU H . 4289 1 45 . 1 1 9 9 LEU HA H 1 4.42 0.03 . 1 . . . . 245 LEU HA . 4289 1 46 . 1 1 9 9 LEU HB2 H 1 1.72 0.03 . 2 . . . . 245 LEU HB2 . 4289 1 47 . 1 1 9 9 LEU HB3 H 1 1.63 0.03 . 2 . . . . 245 LEU HB3 . 4289 1 48 . 1 1 9 9 LEU HD11 H 1 0.95 0.03 . 2 . . . . 245 LEU HD11 . 4289 1 49 . 1 1 9 9 LEU HD12 H 1 0.95 0.03 . 2 . . . . 245 LEU HD12 . 4289 1 50 . 1 1 9 9 LEU HD13 H 1 0.95 0.03 . 2 . . . . 245 LEU HD13 . 4289 1 51 . 1 1 9 9 LEU HD21 H 1 0.89 0.03 . 2 . . . . 245 LEU HD21 . 4289 1 52 . 1 1 9 9 LEU HD22 H 1 0.89 0.03 . 2 . . . . 245 LEU HD22 . 4289 1 53 . 1 1 9 9 LEU HD23 H 1 0.89 0.03 . 2 . . . . 245 LEU HD23 . 4289 1 54 . 1 1 10 10 THR N N 15 113.6 0.1 . 1 . . . . 246 THR N . 4289 1 55 . 1 1 10 10 THR H H 1 8.14 0.03 . 1 . . . . 246 THR H . 4289 1 56 . 1 1 10 10 THR HA H 1 4.32 0.03 . 1 . . . . 246 THR HA . 4289 1 57 . 1 1 10 10 THR HB H 1 4.21 0.03 . 1 . . . . 246 THR HB . 4289 1 58 . 1 1 10 10 THR HG21 H 1 1.20 0.03 . 1 . . . . 246 THR HG21 . 4289 1 59 . 1 1 10 10 THR HG22 H 1 1.20 0.03 . 1 . . . . 246 THR HG22 . 4289 1 60 . 1 1 10 10 THR HG23 H 1 1.20 0.03 . 1 . . . . 246 THR HG23 . 4289 1 61 . 1 1 11 11 LEU N N 15 123.1 0.1 . 1 . . . . 247 LEU N . 4289 1 62 . 1 1 11 11 LEU H H 1 8.24 0.03 . 1 . . . . 247 LEU H . 4289 1 63 . 1 1 11 11 LEU HA H 1 4.38 0.03 . 1 . . . . 247 LEU HA . 4289 1 64 . 1 1 11 11 LEU HB2 H 1 1.69 0.03 . 2 . . . . 247 LEU HB2 . 4289 1 65 . 1 1 11 11 LEU HB3 H 1 1.60 0.03 . 2 . . . . 247 LEU HB3 . 4289 1 66 . 1 1 11 11 LEU HD11 H 1 0.93 0.03 . 2 . . . . 247 LEU HD11 . 4289 1 67 . 1 1 11 11 LEU HD12 H 1 0.93 0.03 . 2 . . . . 247 LEU HD12 . 4289 1 68 . 1 1 11 11 LEU HD13 H 1 0.93 0.03 . 2 . . . . 247 LEU HD13 . 4289 1 69 . 1 1 11 11 LEU HD21 H 1 0.87 0.03 . 2 . . . . 247 LEU HD21 . 4289 1 70 . 1 1 11 11 LEU HD22 H 1 0.87 0.03 . 2 . . . . 247 LEU HD22 . 4289 1 71 . 1 1 11 11 LEU HD23 H 1 0.87 0.03 . 2 . . . . 247 LEU HD23 . 4289 1 72 . 1 1 12 12 LYS N N 15 121.9 0.1 . 1 . . . . 248 LYS N . 4289 1 73 . 1 1 12 12 LYS H H 1 8.33 0.03 . 1 . . . . 248 LYS H . 4289 1 74 . 1 1 12 12 LYS HA H 1 4.61 0.03 . 1 . . . . 248 LYS HA . 4289 1 75 . 1 1 12 12 LYS HB2 H 1 1.84 0.03 . 2 . . . . 248 LYS HB2 . 4289 1 76 . 1 1 12 12 LYS HB3 H 1 1.73 0.03 . 2 . . . . 248 LYS HB3 . 4289 1 77 . 1 1 12 12 LYS HG2 H 1 1.50 0.03 . 1 . . . . 248 LYS HG2 . 4289 1 78 . 1 1 12 12 LYS HG3 H 1 1.50 0.03 . 1 . . . . 248 LYS HG3 . 4289 1 79 . 1 1 12 12 LYS HE2 H 1 3.02 0.03 . 1 . . . . 248 LYS HE2 . 4289 1 80 . 1 1 12 12 LYS HE3 H 1 3.02 0.03 . 1 . . . . 248 LYS HE3 . 4289 1 81 . 1 1 13 13 PRO HA H 1 4.43 0.03 . 1 . . . . 249 PRO HA . 4289 1 82 . 1 1 13 13 PRO HB2 H 1 2.32 0.03 . 2 . . . . 249 PRO HB2 . 4289 1 83 . 1 1 13 13 PRO HB3 H 1 2.03 0.03 . 5 . . . . 249 PRO HB3 . 4289 1 84 . 1 1 13 13 PRO HG2 H 1 2.03 0.03 . 5 . . . . 249 PRO HG2 . 4289 1 85 . 1 1 13 13 PRO HG3 H 1 2.03 0.03 . 5 . . . . 249 PRO HG3 . 4289 1 86 . 1 1 13 13 PRO HD2 H 1 3.83 0.03 . 2 . . . . 249 PRO HD2 . 4289 1 87 . 1 1 13 13 PRO HD3 H 1 3.65 0.03 . 5 . . . . 249 PRO HD3 . 4289 1 88 . 1 1 14 14 ARG N N 15 119.9 0.1 . 1 . . . . 250 ARG N . 4289 1 89 . 1 1 14 14 ARG H H 1 8.56 0.03 . 1 . . . . 250 ARG H . 4289 1 90 . 1 1 14 14 ARG HA H 1 4.33 0.03 . 1 . . . . 250 ARG HA . 4289 1 91 . 1 1 14 14 ARG HB2 H 1 1.91 0.03 . 2 . . . . 250 ARG HB2 . 4289 1 92 . 1 1 14 14 ARG HB3 H 1 1.83 0.03 . 2 . . . . 250 ARG HB3 . 4289 1 93 . 1 1 14 14 ARG HG2 H 1 1.71 0.03 . 1 . . . . 250 ARG HG2 . 4289 1 94 . 1 1 14 14 ARG HG3 H 1 1.71 0.03 . 1 . . . . 250 ARG HG3 . 4289 1 95 . 1 1 14 14 ARG HD2 H 1 3.23 0.03 . 1 . . . . 250 ARG HD2 . 4289 1 96 . 1 1 14 14 ARG HD3 H 1 3.23 0.03 . 1 . . . . 250 ARG HD3 . 4289 1 97 . 1 1 15 15 GLY N N 15 108.0 0.1 . 1 . . . . 251 GLY N . 4289 1 98 . 1 1 15 15 GLY H H 1 8.44 0.03 . 1 . . . . 251 GLY H . 4289 1 99 . 1 1 15 15 GLY HA2 H 1 3.99 0.03 . 1 . . . . 251 GLY HA2 . 4289 1 100 . 1 1 15 15 GLY HA3 H 1 3.99 0.03 . 1 . . . . 251 GLY HA3 . 4289 1 101 . 1 1 16 16 LYS N N 15 119.2 0.1 . 1 . . . . 252 LYS N . 4289 1 102 . 1 1 16 16 LYS H H 1 8.30 0.03 . 1 . . . . 252 LYS H . 4289 1 103 . 1 1 16 16 LYS HA H 1 4.31 0.03 . 1 . . . . 252 LYS HA . 4289 1 104 . 1 1 16 16 LYS HB2 H 1 1.86 0.03 . 2 . . . . 252 LYS HB2 . 4289 1 105 . 1 1 16 16 LYS HB3 H 1 1.80 0.03 . 2 . . . . 252 LYS HB3 . 4289 1 106 . 1 1 16 16 LYS HG2 H 1 1.65 0.03 . 1 . . . . 252 LYS HG2 . 4289 1 107 . 1 1 16 16 LYS HG3 H 1 1.65 0.03 . 1 . . . . 252 LYS HG3 . 4289 1 108 . 1 1 16 16 LYS HE2 H 1 3.22 0.03 . 1 . . . . 252 LYS HE2 . 4289 1 109 . 1 1 16 16 LYS HE3 H 1 3.22 0.03 . 1 . . . . 252 LYS HE3 . 4289 1 110 . 1 1 17 17 GLN N N 15 120.3 0.1 . 1 . . . . 253 GLN N . 4289 1 111 . 1 1 17 17 GLN H H 1 8.52 0.03 . 1 . . . . 253 GLN H . 4289 1 112 . 1 1 17 17 GLN HA H 1 4.37 0.03 . 1 . . . . 253 GLN HA . 4289 1 113 . 1 1 17 17 GLN HB2 H 1 2.11 0.03 . 2 . . . . 253 GLN HB2 . 4289 1 114 . 1 1 17 17 GLN HB3 H 1 2.02 0.03 . 2 . . . . 253 GLN HB3 . 4289 1 115 . 1 1 17 17 GLN HG2 H 1 2.37 0.03 . 1 . . . . 253 GLN HG2 . 4289 1 116 . 1 1 17 17 GLN HG3 H 1 2.37 0.03 . 1 . . . . 253 GLN HG3 . 4289 1 117 . 1 1 18 18 ILE N N 15 120.9 0.1 . 1 . . . . 254 ILE N . 4289 1 118 . 1 1 18 18 ILE H H 1 8.34 0.03 . 1 . . . . 254 ILE H . 4289 1 119 . 1 1 18 18 ILE HA H 1 4.22 0.03 . 1 . . . . 254 ILE HA . 4289 1 120 . 1 1 18 18 ILE HB H 1 1.92 0.03 . 1 . . . . 254 ILE HB . 4289 1 121 . 1 1 18 18 ILE HG21 H 1 0.93 0.03 . 1 . . . . 254 ILE HG21 . 4289 1 122 . 1 1 18 18 ILE HG22 H 1 0.93 0.03 . 1 . . . . 254 ILE HG22 . 4289 1 123 . 1 1 18 18 ILE HG23 H 1 0.93 0.03 . 1 . . . . 254 ILE HG23 . 4289 1 124 . 1 1 18 18 ILE HD11 H 1 0.87 0.03 . 1 . . . . 254 ILE HD11 . 4289 1 125 . 1 1 18 18 ILE HD12 H 1 0.87 0.03 . 1 . . . . 254 ILE HD12 . 4289 1 126 . 1 1 18 18 ILE HD13 H 1 0.87 0.03 . 1 . . . . 254 ILE HD13 . 4289 1 127 . 1 1 19 19 SER N N 15 118.1 0.1 . 1 . . . . 255 SER N . 4289 1 128 . 1 1 19 19 SER H H 1 8.48 0.03 . 1 . . . . 255 SER H . 4289 1 129 . 1 1 19 19 SER HA H 1 4.53 0.03 . 1 . . . . 255 SER HA . 4289 1 130 . 1 1 19 19 SER HB2 H 1 3.93 0.03 . 2 . . . . 255 SER HB2 . 4289 1 131 . 1 1 19 19 SER HB3 H 1 3.51 0.03 . 2 . . . . 255 SER HB3 . 4289 1 132 . 1 1 20 20 SER N N 15 116.3 0.1 . 1 . . . . 256 SER N . 4289 1 133 . 1 1 20 20 SER H H 1 8.40 0.03 . 1 . . . . 256 SER H . 4289 1 134 . 1 1 20 20 SER HA H 1 4.49 0.03 . 1 . . . . 256 SER HA . 4289 1 135 . 1 1 20 20 SER HB2 H 1 3.90 0.03 . 1 . . . . 256 SER HB2 . 4289 1 136 . 1 1 20 20 SER HB3 H 1 3.90 0.03 . 1 . . . . 256 SER HB3 . 4289 1 137 . 1 1 21 21 ALA N N 15 125.1 0.1 . 1 . . . . 257 ALA N . 4289 1 138 . 1 1 21 21 ALA H H 1 8.29 0.03 . 1 . . . . 257 ALA H . 4289 1 139 . 1 1 21 21 ALA HA H 1 4.61 0.03 . 1 . . . . 257 ALA HA . 4289 1 140 . 1 1 21 21 ALA HB1 H 1 1.38 0.03 . 1 . . . . 257 ALA HB1 . 4289 1 141 . 1 1 21 21 ALA HB2 H 1 1.38 0.03 . 1 . . . . 257 ALA HB2 . 4289 1 142 . 1 1 21 21 ALA HB3 H 1 1.38 0.03 . 1 . . . . 257 ALA HB3 . 4289 1 143 . 1 1 22 22 PRO HA H 1 4.40 0.03 . 1 . . . . 258 PRO HA . 4289 1 144 . 1 1 22 22 PRO HB2 H 1 2.30 0.03 . 2 . . . . 258 PRO HB2 . 4289 1 145 . 1 1 22 22 PRO HB3 H 1 2.01 0.03 . 5 . . . . 258 PRO HB3 . 4289 1 146 . 1 1 22 22 PRO HG2 H 1 1.85 0.03 . 1 . . . . 258 PRO HG2 . 4289 1 147 . 1 1 22 22 PRO HG3 H 1 1.85 0.03 . 1 . . . . 258 PRO HG3 . 4289 1 148 . 1 1 22 22 PRO HD2 H 1 3.80 0.03 . 2 . . . . 258 PRO HD2 . 4289 1 149 . 1 1 22 22 PRO HD3 H 1 3.65 0.03 . 5 . . . . 258 PRO HD3 . 4289 1 150 . 1 1 23 23 HIS N N 15 116.7 0.1 . 1 . . . . 259 HIS N . 4289 1 151 . 1 1 23 23 HIS H H 1 8.64 0.03 . 1 . . . . 259 HIS H . 4289 1 152 . 1 1 23 23 HIS HA H 1 4.67 0.03 . 1 . . . . 259 HIS HA . 4289 1 153 . 1 1 23 23 HIS HB2 H 1 3.27 0.03 . 2 . . . . 259 HIS HB2 . 4289 1 154 . 1 1 23 23 HIS HB3 H 1 3.22 0.03 . 2 . . . . 259 HIS HB3 . 4289 1 155 . 1 1 23 23 HIS HD2 H 1 8.62 0.03 . 1 . . . . 259 HIS HD2 . 4289 1 156 . 1 1 23 23 HIS HE1 H 1 7.33 0.03 . 1 . . . . 259 HIS HE1 . 4289 1 157 . 1 1 24 24 ALA N N 15 123.7 0.1 . 1 . . . . 260 ALA N . 4289 1 158 . 1 1 24 24 ALA H H 1 8.42 0.03 . 1 . . . . 260 ALA H . 4289 1 159 . 1 1 24 24 ALA HA H 1 4.34 0.03 . 1 . . . . 260 ALA HA . 4289 1 160 . 1 1 24 24 ALA HB1 H 1 1.39 0.03 . 1 . . . . 260 ALA HB1 . 4289 1 161 . 1 1 24 24 ALA HB2 H 1 1.39 0.03 . 1 . . . . 260 ALA HB2 . 4289 1 162 . 1 1 24 24 ALA HB3 H 1 1.39 0.03 . 1 . . . . 260 ALA HB3 . 4289 1 163 . 1 1 25 25 ASP N N 15 117.7 0.1 . 1 . . . . 261 ASP N . 4289 1 164 . 1 1 25 25 ASP H H 1 8.52 0.03 . 1 . . . . 261 ASP H . 4289 1 165 . 1 1 25 25 ASP HA H 1 4.62 0.03 . 1 . . . . 261 ASP HA . 4289 1 166 . 1 1 25 25 ASP HB2 H 1 2.74 0.03 . 2 . . . . 261 ASP HB2 . 4289 1 167 . 1 1 25 25 ASP HB3 H 1 2.65 0.03 . 2 . . . . 261 ASP HB3 . 4289 1 168 . 1 1 26 26 GLN N N 15 119.3 0.1 . 1 . . . . 262 GLN N . 4289 1 169 . 1 1 26 26 GLN H H 1 8.25 0.03 . 1 . . . . 262 GLN H . 4289 1 170 . 1 1 26 26 GLN HA H 1 4.65 0.03 . 1 . . . . 262 GLN HA . 4289 1 171 . 1 1 26 26 GLN HB2 H 1 2.10 0.03 . 2 . . . . 262 GLN HB2 . 4289 1 172 . 1 1 26 26 GLN HB3 H 1 1.96 0.03 . 2 . . . . 262 GLN HB3 . 4289 1 173 . 1 1 26 26 GLN HG2 H 1 2.40 0.03 . 1 . . . . 262 GLN HG2 . 4289 1 174 . 1 1 26 26 GLN HG3 H 1 2.40 0.03 . 1 . . . . 262 GLN HG3 . 4289 1 175 . 1 1 27 27 PRO HA H 1 4.48 0.03 . 1 . . . . 263 PRO HA . 4289 1 176 . 1 1 27 27 PRO HB2 H 1 2.29 0.03 . 2 . . . . 263 PRO HB2 . 4289 1 177 . 1 1 27 27 PRO HB3 H 1 2.01 0.03 . 2 . . . . 263 PRO HB3 . 4289 1 178 . 1 1 27 27 PRO HG2 H 1 1.89 0.03 . 1 . . . . 263 PRO HG2 . 4289 1 179 . 1 1 27 27 PRO HG3 H 1 1.89 0.03 . 1 . . . . 263 PRO HG3 . 4289 1 180 . 1 1 27 27 PRO HD2 H 1 3.79 0.03 . 2 . . . . 263 PRO HD2 . 4289 1 181 . 1 1 27 27 PRO HD3 H 1 3.67 0.03 . 2 . . . . 263 PRO HD3 . 4289 1 182 . 1 1 28 28 ILE N N 15 119.5 0.1 . 1 . . . . 264 ILE N . 4289 1 183 . 1 1 28 28 ILE H H 1 8.44 0.03 . 1 . . . . 264 ILE H . 4289 1 184 . 1 1 28 28 ILE HA H 1 4.24 0.03 . 1 . . . . 264 ILE HA . 4289 1 185 . 1 1 28 28 ILE HB H 1 1.90 0.03 . 1 . . . . 264 ILE HB . 4289 1 186 . 1 1 28 28 ILE HG21 H 1 0.93 0.03 . 1 . . . . 264 ILE HG21 . 4289 1 187 . 1 1 28 28 ILE HG22 H 1 0.93 0.03 . 1 . . . . 264 ILE HG22 . 4289 1 188 . 1 1 28 28 ILE HG23 H 1 0.93 0.03 . 1 . . . . 264 ILE HG23 . 4289 1 189 . 1 1 28 28 ILE HG12 H 1 1.54 0.03 . 2 . . . . 264 ILE HG12 . 4289 1 190 . 1 1 28 28 ILE HG13 H 1 1.24 0.03 . 2 . . . . 264 ILE HG13 . 4289 1 191 . 1 1 29 29 THR N N 15 116.1 0.1 . 1 . . . . 265 THR N . 4289 1 192 . 1 1 29 29 THR H H 1 8.14 0.03 . 1 . . . . 265 THR H . 4289 1 193 . 1 1 29 29 THR HA H 1 4.32 0.03 . 1 . . . . 265 THR HA . 4289 1 194 . 1 1 29 29 THR HB H 1 4.19 0.03 . 1 . . . . 265 THR HB . 4289 1 195 . 1 1 29 29 THR HG21 H 1 1.22 0.03 . 1 . . . . 265 THR HG21 . 4289 1 196 . 1 1 29 29 THR HG22 H 1 1.22 0.03 . 1 . . . . 265 THR HG22 . 4289 1 197 . 1 1 29 29 THR HG23 H 1 1.22 0.03 . 1 . . . . 265 THR HG23 . 4289 1 198 . 1 1 30 30 GLY N N 15 109.0 0.1 . 1 . . . . 266 GLY N . 4289 1 199 . 1 1 30 30 GLY H H 1 8.43 0.03 . 1 . . . . 266 GLY H . 4289 1 200 . 1 1 30 30 GLY HA2 H 1 3.99 0.03 . 1 . . . . 266 GLY HA2 . 4289 1 201 . 1 1 30 30 GLY HA3 H 1 3.99 0.03 . 1 . . . . 266 GLY HA3 . 4289 1 202 . 1 1 31 31 ASP N N 15 118.3 0.1 . 1 . . . . 267 ASP N . 4289 1 203 . 1 1 31 31 ASP H H 1 8.31 0.03 . 1 . . . . 267 ASP H . 4289 1 204 . 1 1 31 31 ASP HA H 1 4.66 0.03 . 1 . . . . 267 ASP HA . 4289 1 205 . 1 1 31 31 ASP HB2 H 1 2.79 0.03 . 2 . . . . 267 ASP HB2 . 4289 1 206 . 1 1 31 31 ASP HB3 H 1 2.68 0.03 . 2 . . . . 267 ASP HB3 . 4289 1 207 . 1 1 32 32 VAL N N 15 119.6 0.1 . 1 . . . . 268 VAL N . 4289 1 208 . 1 1 32 32 VAL H H 1 8.28 0.03 . 1 . . . . 268 VAL H . 4289 1 209 . 1 1 32 32 VAL HA H 1 4.15 0.03 . 1 . . . . 268 VAL HA . 4289 1 210 . 1 1 32 32 VAL HB H 1 2.17 0.03 . 1 . . . . 268 VAL HB . 4289 1 211 . 1 1 32 32 VAL HG11 H 1 0.97 0.03 . 1 . . . . 268 VAL HG11 . 4289 1 212 . 1 1 32 32 VAL HG12 H 1 0.97 0.03 . 1 . . . . 268 VAL HG12 . 4289 1 213 . 1 1 32 32 VAL HG13 H 1 0.97 0.03 . 1 . . . . 268 VAL HG13 . 4289 1 214 . 1 1 32 32 VAL HG21 H 1 0.97 0.03 . 1 . . . . 268 VAL HG21 . 4289 1 215 . 1 1 32 32 VAL HG22 H 1 0.97 0.03 . 1 . . . . 268 VAL HG22 . 4289 1 216 . 1 1 32 32 VAL HG23 H 1 0.97 0.03 . 1 . . . . 268 VAL HG23 . 4289 1 217 . 1 1 33 33 SER N N 15 117.0 0.1 . 1 . . . . 269 SER N . 4289 1 218 . 1 1 33 33 SER H H 1 8.45 0.03 . 1 . . . . 269 SER H . 4289 1 219 . 1 1 33 33 SER HA H 1 4.40 0.03 . 1 . . . . 269 SER HA . 4289 1 220 . 1 1 33 33 SER HB2 H 1 4.00 0.03 . 2 . . . . 269 SER HB2 . 4289 1 221 . 1 1 33 33 SER HB3 H 1 3.93 0.03 . 2 . . . . 269 SER HB3 . 4289 1 222 . 1 1 34 34 ALA N N 15 123.2 0.1 . 1 . . . . 270 ALA N . 4289 1 223 . 1 1 34 34 ALA H H 1 8.33 0.03 . 1 . . . . 270 ALA H . 4289 1 224 . 1 1 34 34 ALA HA H 1 4.19 0.03 . 1 . . . . 270 ALA HA . 4289 1 225 . 1 1 34 34 ALA HB1 H 1 1.45 0.03 . 1 . . . . 270 ALA HB1 . 4289 1 226 . 1 1 34 34 ALA HB2 H 1 1.45 0.03 . 1 . . . . 270 ALA HB2 . 4289 1 227 . 1 1 34 34 ALA HB3 H 1 1.45 0.03 . 1 . . . . 270 ALA HB3 . 4289 1 228 . 1 1 35 35 ALA N N 15 119.5 0.1 . 1 . . . . 271 ALA N . 4289 1 229 . 1 1 35 35 ALA H H 1 8.18 0.03 . 1 . . . . 271 ALA H . 4289 1 230 . 1 1 35 35 ALA HA H 1 4.27 0.03 . 1 . . . . 271 ALA HA . 4289 1 231 . 1 1 35 35 ALA HB1 H 1 1.43 0.03 . 1 . . . . 271 ALA HB1 . 4289 1 232 . 1 1 35 35 ALA HB2 H 1 1.43 0.03 . 1 . . . . 271 ALA HB2 . 4289 1 233 . 1 1 35 35 ALA HB3 H 1 1.43 0.03 . 1 . . . . 271 ALA HB3 . 4289 1 234 . 1 1 36 36 ASN N N 15 116.1 0.1 . 1 . . . . 272 ASN N . 4289 1 235 . 1 1 36 36 ASN H H 1 8.19 0.03 . 1 . . . . 272 ASN H . 4289 1 236 . 1 1 36 36 ASN HA H 1 4.68 0.03 . 1 . . . . 272 ASN HA . 4289 1 237 . 1 1 36 36 ASN HB2 H 1 2.92 0.03 . 2 . . . . 272 ASN HB2 . 4289 1 238 . 1 1 36 36 ASN HB3 H 1 2.89 0.03 . 2 . . . . 272 ASN HB3 . 4289 1 239 . 1 1 37 37 LYS N N 15 119.1 0.1 . 1 . . . . 273 LYS N . 4289 1 240 . 1 1 37 37 LYS H H 1 8.36 0.03 . 1 . . . . 273 LYS H . 4289 1 241 . 1 1 37 37 LYS HA H 1 3.90 0.03 . 1 . . . . 273 LYS HA . 4289 1 242 . 1 1 37 37 LYS HB2 H 1 1.90 0.03 . 2 . . . . 273 LYS HB2 . 4289 1 243 . 1 1 37 37 LYS HB3 H 1 1.84 0.03 . 2 . . . . 273 LYS HB3 . 4289 1 244 . 1 1 37 37 LYS HG2 H 1 1.32 0.03 . 1 . . . . 273 LYS HG2 . 4289 1 245 . 1 1 37 37 LYS HG3 H 1 1.32 0.03 . 1 . . . . 273 LYS HG3 . 4289 1 246 . 1 1 37 37 LYS HD2 H 1 1.70 0.03 . 2 . . . . 273 LYS HD2 . 4289 1 247 . 1 1 37 37 LYS HD3 H 1 1.62 0.03 . 2 . . . . 273 LYS HD3 . 4289 1 248 . 1 1 37 37 LYS HE2 H 1 2.97 0.03 . 1 . . . . 273 LYS HE2 . 4289 1 249 . 1 1 37 37 LYS HE3 H 1 2.97 0.03 . 1 . . . . 273 LYS HE3 . 4289 1 250 . 1 1 38 38 ASP N N 15 116.9 0.1 . 1 . . . . 274 ASP N . 4289 1 251 . 1 1 38 38 ASP H H 1 8.26 0.03 . 1 . . . . 274 ASP H . 4289 1 252 . 1 1 38 38 ASP HA H 1 4.43 0.03 . 1 . . . . 274 ASP HA . 4289 1 253 . 1 1 38 38 ASP HB2 H 1 2.78 0.03 . 2 . . . . 274 ASP HB2 . 4289 1 254 . 1 1 38 38 ASP HB3 H 1 2.71 0.03 . 2 . . . . 274 ASP HB3 . 4289 1 255 . 1 1 39 39 ALA N N 15 120.6 0.1 . 1 . . . . 275 ALA N . 4289 1 256 . 1 1 39 39 ALA H H 1 7.96 0.03 . 1 . . . . 275 ALA H . 4289 1 257 . 1 1 39 39 ALA HA H 1 4.17 0.03 . 1 . . . . 275 ALA HA . 4289 1 258 . 1 1 39 39 ALA HB1 H 1 1.54 0.03 . 1 . . . . 275 ALA HB1 . 4289 1 259 . 1 1 39 39 ALA HB2 H 1 1.54 0.03 . 1 . . . . 275 ALA HB2 . 4289 1 260 . 1 1 39 39 ALA HB3 H 1 1.54 0.03 . 1 . . . . 275 ALA HB3 . 4289 1 261 . 1 1 40 40 ILE N N 15 117.4 0.1 . 1 . . . . 276 ILE N . 4289 1 262 . 1 1 40 40 ILE H H 1 7.95 0.03 . 1 . . . . 276 ILE H . 4289 1 263 . 1 1 40 40 ILE HA H 1 3.76 0.03 . 1 . . . . 276 ILE HA . 4289 1 264 . 1 1 40 40 ILE HB H 1 1.91 0.03 . 1 . . . . 276 ILE HB . 4289 1 265 . 1 1 40 40 ILE HG21 H 1 0.87 0.03 . 1 . . . . 276 ILE HG21 . 4289 1 266 . 1 1 40 40 ILE HG22 H 1 0.87 0.03 . 1 . . . . 276 ILE HG22 . 4289 1 267 . 1 1 40 40 ILE HG23 H 1 0.87 0.03 . 1 . . . . 276 ILE HG23 . 4289 1 268 . 1 1 40 40 ILE HG12 H 1 1.73 0.03 . 2 . . . . 276 ILE HG12 . 4289 1 269 . 1 1 40 40 ILE HG13 H 1 1.10 0.03 . 2 . . . . 276 ILE HG13 . 4289 1 270 . 1 1 40 40 ILE HD11 H 1 0.77 0.03 . 1 . . . . 276 ILE HD11 . 4289 1 271 . 1 1 40 40 ILE HD12 H 1 0.77 0.03 . 1 . . . . 276 ILE HD12 . 4289 1 272 . 1 1 40 40 ILE HD13 H 1 0.77 0.03 . 1 . . . . 276 ILE HD13 . 4289 1 273 . 1 1 41 41 ARG N N 15 119.1 0.1 . 1 . . . . 277 ARG N . 4289 1 274 . 1 1 41 41 ARG H H 1 8.36 0.03 . 1 . . . . 277 ARG H . 4289 1 275 . 1 1 41 41 ARG HA H 1 4.14 0.03 . 1 . . . . 277 ARG HA . 4289 1 276 . 1 1 41 41 ARG HB2 H 1 2.00 0.03 . 2 . . . . 277 ARG HB2 . 4289 1 277 . 1 1 41 41 ARG HB3 H 1 1.84 0.03 . 2 . . . . 277 ARG HB3 . 4289 1 278 . 1 1 41 41 ARG HG2 H 1 1.32 0.03 . 2 . . . . 277 ARG HG2 . 4289 1 279 . 1 1 41 41 ARG HG3 H 1 1.68 0.03 . 2 . . . . 277 ARG HG3 . 4289 1 280 . 1 1 41 41 ARG HD2 H 1 3.27 0.03 . 1 . . . . 277 ARG HD2 . 4289 1 281 . 1 1 41 41 ARG HD3 H 1 3.27 0.03 . 1 . . . . 277 ARG HD3 . 4289 1 282 . 1 1 42 42 LYS N N 15 117.8 0.1 . 1 . . . . 278 LYS N . 4289 1 283 . 1 1 42 42 LYS H H 1 8.07 0.03 . 1 . . . . 278 LYS H . 4289 1 284 . 1 1 42 42 LYS HA H 1 4.20 0.03 . 1 . . . . 278 LYS HA . 4289 1 285 . 1 1 42 42 LYS HB2 H 1 1.97 0.03 . 1 . . . . 278 LYS HB2 . 4289 1 286 . 1 1 42 42 LYS HB3 H 1 1.97 0.03 . 1 . . . . 278 LYS HB3 . 4289 1 287 . 1 1 42 42 LYS HE2 H 1 3.01 0.03 . 1 . . . . 278 LYS HE2 . 4289 1 288 . 1 1 42 42 LYS HE3 H 1 3.01 0.03 . 1 . . . . 278 LYS HE3 . 4289 1 289 . 1 1 43 43 GLN N N 15 118.4 0.1 . 1 . . . . 279 GLN N . 4289 1 290 . 1 1 43 43 GLN H H 1 7.98 0.03 . 1 . . . . 279 GLN H . 4289 1 291 . 1 1 43 43 GLN HA H 1 4.17 0.03 . 1 . . . . 279 GLN HA . 4289 1 292 . 1 1 43 43 GLN HB2 H 1 2.29 0.03 . 2 . . . . 279 GLN HB2 . 4289 1 293 . 1 1 43 43 GLN HB3 H 1 2.12 0.03 . 2 . . . . 279 GLN HB3 . 4289 1 294 . 1 1 43 43 GLN HG2 H 1 2.61 0.03 . 2 . . . . 279 GLN HG2 . 4289 1 295 . 1 1 43 43 GLN HG3 H 1 2.39 0.03 . 2 . . . . 279 GLN HG3 . 4289 1 296 . 1 1 44 44 MET N N 15 121.4 0.1 . 1 . . . . 280 MET N . 4289 1 297 . 1 1 44 44 MET H H 1 9.00 0.03 . 1 . . . . 280 MET H . 4289 1 298 . 1 1 44 44 MET HA H 1 3.89 0.03 . 1 . . . . 280 MET HA . 4289 1 299 . 1 1 44 44 MET HB2 H 1 2.29 0.03 . 1 . . . . 280 MET HB2 . 4289 1 300 . 1 1 44 44 MET HB3 H 1 2.29 0.03 . 1 . . . . 280 MET HB3 . 4289 1 301 . 1 1 44 44 MET HG2 H 1 2.50 0.03 . 2 . . . . 280 MET HG2 . 4289 1 302 . 1 1 44 44 MET HG3 H 1 2.41 0.03 . 2 . . . . 280 MET HG3 . 4289 1 303 . 1 1 44 44 MET HE1 H 1 1.81 0.03 . 1 . . . . 280 MET HE1 . 4289 1 304 . 1 1 44 44 MET HE2 H 1 1.81 0.03 . 1 . . . . 280 MET HE2 . 4289 1 305 . 1 1 44 44 MET HE3 H 1 1.81 0.03 . 1 . . . . 280 MET HE3 . 4289 1 306 . 1 1 45 45 ASP N N 15 118.2 0.1 . 1 . . . . 281 ASP N . 4289 1 307 . 1 1 45 45 ASP H H 1 8.31 0.03 . 1 . . . . 281 ASP H . 4289 1 308 . 1 1 45 45 ASP HA H 1 4.48 0.03 . 1 . . . . 281 ASP HA . 4289 1 309 . 1 1 45 45 ASP HB2 H 1 2.89 0.03 . 2 . . . . 281 ASP HB2 . 4289 1 310 . 1 1 45 45 ASP HB3 H 1 2.84 0.03 . 2 . . . . 281 ASP HB3 . 4289 1 311 . 1 1 46 46 ALA N N 15 121.4 0.1 . 1 . . . . 282 ALA N . 4289 1 312 . 1 1 46 46 ALA H H 1 7.98 0.03 . 1 . . . . 282 ALA H . 4289 1 313 . 1 1 46 46 ALA HA H 1 4.21 0.03 . 1 . . . . 282 ALA HA . 4289 1 314 . 1 1 46 46 ALA HB1 H 1 1.54 0.03 . 1 . . . . 282 ALA HB1 . 4289 1 315 . 1 1 46 46 ALA HB2 H 1 1.54 0.03 . 1 . . . . 282 ALA HB2 . 4289 1 316 . 1 1 46 46 ALA HB3 H 1 1.54 0.03 . 1 . . . . 282 ALA HB3 . 4289 1 317 . 1 1 47 47 ALA N N 15 119.4 0.1 . 1 . . . . 283 ALA N . 4289 1 318 . 1 1 47 47 ALA H H 1 8.11 0.03 . 1 . . . . 283 ALA H . 4289 1 319 . 1 1 47 47 ALA HA H 1 4.29 0.03 . 1 . . . . 283 ALA HA . 4289 1 320 . 1 1 47 47 ALA HB1 H 1 1.68 0.03 . 1 . . . . 283 ALA HB1 . 4289 1 321 . 1 1 47 47 ALA HB2 H 1 1.68 0.03 . 1 . . . . 283 ALA HB2 . 4289 1 322 . 1 1 47 47 ALA HB3 H 1 1.68 0.03 . 1 . . . . 283 ALA HB3 . 4289 1 323 . 1 1 48 48 ALA N N 15 119.1 0.1 . 1 . . . . 284 ALA N . 4289 1 324 . 1 1 48 48 ALA H H 1 8.70 0.03 . 1 . . . . 284 ALA H . 4289 1 325 . 1 1 48 48 ALA HA H 1 3.93 0.03 . 1 . . . . 284 ALA HA . 4289 1 326 . 1 1 48 48 ALA HB1 H 1 1.18 0.03 . 1 . . . . 284 ALA HB1 . 4289 1 327 . 1 1 48 48 ALA HB2 H 1 1.18 0.03 . 1 . . . . 284 ALA HB2 . 4289 1 328 . 1 1 48 48 ALA HB3 H 1 1.18 0.03 . 1 . . . . 284 ALA HB3 . 4289 1 329 . 1 1 49 49 SER N N 15 112.1 0.1 . 1 . . . . 285 SER N . 4289 1 330 . 1 1 49 49 SER H H 1 8.16 0.03 . 1 . . . . 285 SER H . 4289 1 331 . 1 1 49 49 SER HA H 1 4.24 0.03 . 1 . . . . 285 SER HA . 4289 1 332 . 1 1 49 49 SER HB2 H 1 4.06 0.03 . 2 . . . . 285 SER HB2 . 4289 1 333 . 1 1 49 49 SER HB3 H 1 4.02 0.03 . 2 . . . . 285 SER HB3 . 4289 1 334 . 1 1 50 50 LYS N N 15 116.3 0.1 . 1 . . . . 286 LYS N . 4289 1 335 . 1 1 50 50 LYS H H 1 7.48 0.03 . 1 . . . . 286 LYS H . 4289 1 336 . 1 1 50 50 LYS HA H 1 4.49 0.03 . 1 . . . . 286 LYS HA . 4289 1 337 . 1 1 50 50 LYS HB2 H 1 1.98 0.03 . 2 . . . . 286 LYS HB2 . 4289 1 338 . 1 1 50 50 LYS HB3 H 1 1.94 0.03 . 2 . . . . 286 LYS HB3 . 4289 1 339 . 1 1 50 50 LYS HG2 H 1 1.63 0.03 . 2 . . . . 286 LYS HG2 . 4289 1 340 . 1 1 50 50 LYS HG3 H 1 1.59 0.03 . 2 . . . . 286 LYS HG3 . 4289 1 341 . 1 1 50 50 LYS HD2 H 1 1.75 0.03 . 1 . . . . 286 LYS HD2 . 4289 1 342 . 1 1 50 50 LYS HD3 H 1 1.75 0.03 . 1 . . . . 286 LYS HD3 . 4289 1 343 . 1 1 50 50 LYS HE2 H 1 3.02 0.03 . 1 . . . . 286 LYS HE2 . 4289 1 344 . 1 1 50 50 LYS HE3 H 1 3.02 0.03 . 1 . . . . 286 LYS HE3 . 4289 1 345 . 1 1 51 51 GLY N N 15 107.2 0.1 . 1 . . . . 287 GLY N . 4289 1 346 . 1 1 51 51 GLY H H 1 7.84 0.03 . 1 . . . . 287 GLY H . 4289 1 347 . 1 1 51 51 GLY HA2 H 1 4.09 0.03 . 2 . . . . 287 GLY HA2 . 4289 1 348 . 1 1 51 51 GLY HA3 H 1 3.88 0.03 . 2 . . . . 287 GLY HA3 . 4289 1 349 . 1 1 52 52 ASP N N 15 118.1 0.1 . 1 . . . . 288 ASP N . 4289 1 350 . 1 1 52 52 ASP H H 1 8.21 0.03 . 1 . . . . 288 ASP H . 4289 1 351 . 1 1 52 52 ASP HA H 1 4.87 0.03 . 1 . . . . 288 ASP HA . 4289 1 352 . 1 1 52 52 ASP HB2 H 1 2.99 0.03 . 2 . . . . 288 ASP HB2 . 4289 1 353 . 1 1 52 52 ASP HB3 H 1 2.60 0.03 . 2 . . . . 288 ASP HB3 . 4289 1 354 . 1 1 53 53 VAL N N 15 121.2 0.1 . 1 . . . . 289 VAL N . 4289 1 355 . 1 1 53 53 VAL H H 1 7.81 0.03 . 1 . . . . 289 VAL H . 4289 1 356 . 1 1 53 53 VAL HA H 1 3.74 0.03 . 1 . . . . 289 VAL HA . 4289 1 357 . 1 1 53 53 VAL HB H 1 2.10 0.03 . 1 . . . . 289 VAL HB . 4289 1 358 . 1 1 53 53 VAL HG11 H 1 1.02 0.03 . 2 . . . . 289 VAL HG11 . 4289 1 359 . 1 1 53 53 VAL HG12 H 1 1.02 0.03 . 2 . . . . 289 VAL HG12 . 4289 1 360 . 1 1 53 53 VAL HG13 H 1 1.02 0.03 . 2 . . . . 289 VAL HG13 . 4289 1 361 . 1 1 53 53 VAL HG21 H 1 0.99 0.03 . 2 . . . . 289 VAL HG21 . 4289 1 362 . 1 1 53 53 VAL HG22 H 1 0.99 0.03 . 2 . . . . 289 VAL HG22 . 4289 1 363 . 1 1 53 53 VAL HG23 H 1 0.99 0.03 . 2 . . . . 289 VAL HG23 . 4289 1 364 . 1 1 54 54 GLU N N 15 118.9 0.1 . 1 . . . . 290 GLU N . 4289 1 365 . 1 1 54 54 GLU H H 1 8.62 0.03 . 1 . . . . 290 GLU H . 4289 1 366 . 1 1 54 54 GLU HA H 1 4.19 0.03 . 1 . . . . 290 GLU HA . 4289 1 367 . 1 1 54 54 GLU HB2 H 1 2.16 0.03 . 2 . . . . 290 GLU HB2 . 4289 1 368 . 1 1 54 54 GLU HB3 H 1 2.09 0.03 . 2 . . . . 290 GLU HB3 . 4289 1 369 . 1 1 54 54 GLU HG2 H 1 2.41 0.03 . 1 . . . . 290 GLU HG2 . 4289 1 370 . 1 1 54 54 GLU HG3 H 1 2.41 0.03 . 1 . . . . 290 GLU HG3 . 4289 1 371 . 1 1 55 55 THR N N 15 115.6 0.1 . 1 . . . . 291 THR N . 4289 1 372 . 1 1 55 55 THR H H 1 7.84 0.03 . 1 . . . . 291 THR H . 4289 1 373 . 1 1 55 55 THR HA H 1 3.88 0.03 . 1 . . . . 291 THR HA . 4289 1 374 . 1 1 55 55 THR HB H 1 3.77 0.03 . 1 . . . . 291 THR HB . 4289 1 375 . 1 1 55 55 THR HG21 H 1 1.18 0.03 . 1 . . . . 291 THR HG21 . 4289 1 376 . 1 1 55 55 THR HG22 H 1 1.18 0.03 . 1 . . . . 291 THR HG22 . 4289 1 377 . 1 1 55 55 THR HG23 H 1 1.18 0.03 . 1 . . . . 291 THR HG23 . 4289 1 378 . 1 1 56 56 TYR N N 15 119.3 0.1 . 1 . . . . 292 TYR N . 4289 1 379 . 1 1 56 56 TYR H H 1 8.08 0.03 . 1 . . . . 292 TYR H . 4289 1 380 . 1 1 56 56 TYR HA H 1 3.83 0.03 . 1 . . . . 292 TYR HA . 4289 1 381 . 1 1 56 56 TYR HB2 H 1 3.26 0.03 . 2 . . . . 292 TYR HB2 . 4289 1 382 . 1 1 56 56 TYR HB3 H 1 2.92 0.03 . 2 . . . . 292 TYR HB3 . 4289 1 383 . 1 1 56 56 TYR HD1 H 1 6.82 0.03 . 1 . . . . 292 TYR HD1 . 4289 1 384 . 1 1 56 56 TYR HD2 H 1 6.82 0.03 . 1 . . . . 292 TYR HD2 . 4289 1 385 . 1 1 56 56 TYR HE1 H 1 7.14 0.03 . 1 . . . . 292 TYR HE1 . 4289 1 386 . 1 1 56 56 TYR HE2 H 1 7.14 0.03 . 1 . . . . 292 TYR HE2 . 4289 1 387 . 1 1 57 57 ARG N N 15 115.4 0.1 . 1 . . . . 293 ARG N . 4289 1 388 . 1 1 57 57 ARG H H 1 8.54 0.03 . 1 . . . . 293 ARG H . 4289 1 389 . 1 1 57 57 ARG HA H 1 3.84 0.03 . 1 . . . . 293 ARG HA . 4289 1 390 . 1 1 57 57 ARG HB2 H 1 1.96 0.03 . 1 . . . . 293 ARG HB2 . 4289 1 391 . 1 1 57 57 ARG HB3 H 1 1.96 0.03 . 1 . . . . 293 ARG HB3 . 4289 1 392 . 1 1 57 57 ARG HG2 H 1 1.75 0.03 . 1 . . . . 293 ARG HG2 . 4289 1 393 . 1 1 57 57 ARG HG3 H 1 1.75 0.03 . 1 . . . . 293 ARG HG3 . 4289 1 394 . 1 1 57 57 ARG HD2 H 1 3.25 0.03 . 1 . . . . 293 ARG HD2 . 4289 1 395 . 1 1 57 57 ARG HD3 H 1 3.25 0.03 . 1 . . . . 293 ARG HD3 . 4289 1 396 . 1 1 58 58 LYS N N 15 119.0 0.1 . 1 . . . . 294 LYS N . 4289 1 397 . 1 1 58 58 LYS H H 1 7.90 0.03 . 1 . . . . 294 LYS H . 4289 1 398 . 1 1 58 58 LYS HA H 1 4.07 0.03 . 1 . . . . 294 LYS HA . 4289 1 399 . 1 1 58 58 LYS HB2 H 1 1.99 0.03 . 2 . . . . 294 LYS HB2 . 4289 1 400 . 1 1 58 58 LYS HB3 H 1 1.90 0.03 . 2 . . . . 294 LYS HB3 . 4289 1 401 . 1 1 58 58 LYS HG2 H 1 1.43 0.03 . 1 . . . . 294 LYS HG2 . 4289 1 402 . 1 1 58 58 LYS HG3 H 1 1.43 0.03 . 1 . . . . 294 LYS HG3 . 4289 1 403 . 1 1 58 58 LYS HD2 H 1 1.70 0.03 . 2 . . . . 294 LYS HD2 . 4289 1 404 . 1 1 58 58 LYS HD3 H 1 1.67 0.03 . 2 . . . . 294 LYS HD3 . 4289 1 405 . 1 1 58 58 LYS HE2 H 1 2.96 0.03 . 1 . . . . 294 LYS HE2 . 4289 1 406 . 1 1 58 58 LYS HE3 H 1 2.96 0.03 . 1 . . . . 294 LYS HE3 . 4289 1 407 . 1 1 59 59 LEU N N 15 119.6 0.1 . 1 . . . . 295 LEU N . 4289 1 408 . 1 1 59 59 LEU H H 1 8.29 0.03 . 1 . . . . 295 LEU H . 4289 1 409 . 1 1 59 59 LEU HA H 1 4.01 0.03 . 1 . . . . 295 LEU HA . 4289 1 410 . 1 1 59 59 LEU HB2 H 1 1.85 0.03 . 2 . . . . 295 LEU HB2 . 4289 1 411 . 1 1 59 59 LEU HB3 H 1 1.75 0.03 . 2 . . . . 295 LEU HB3 . 4289 1 412 . 1 1 60 60 LYS N N 15 118.6 0.1 . 1 . . . . 296 LYS N . 4289 1 413 . 1 1 60 60 LYS H H 1 8.36 0.03 . 1 . . . . 296 LYS H . 4289 1 414 . 1 1 60 60 LYS HA H 1 3.85 0.03 . 1 . . . . 296 LYS HA . 4289 1 415 . 1 1 60 60 LYS HB2 H 1 2.03 0.03 . 1 . . . . 296 LYS HB2 . 4289 1 416 . 1 1 60 60 LYS HB3 H 1 2.03 0.03 . 1 . . . . 296 LYS HB3 . 4289 1 417 . 1 1 60 60 LYS HG2 H 1 1.47 0.03 . 2 . . . . 296 LYS HG2 . 4289 1 418 . 1 1 60 60 LYS HG3 H 1 1.29 0.03 . 2 . . . . 296 LYS HG3 . 4289 1 419 . 1 1 60 60 LYS HD2 H 1 1.71 0.03 . 2 . . . . 296 LYS HD2 . 4289 1 420 . 1 1 60 60 LYS HD3 H 1 1.64 0.03 . 2 . . . . 296 LYS HD3 . 4289 1 421 . 1 1 60 60 LYS HE2 H 1 2.97 0.03 . 1 . . . . 296 LYS HE2 . 4289 1 422 . 1 1 60 60 LYS HE3 H 1 2.97 0.03 . 1 . . . . 296 LYS HE3 . 4289 1 423 . 1 1 61 61 ALA N N 15 118.2 0.1 . 1 . . . . 297 ALA N . 4289 1 424 . 1 1 61 61 ALA H H 1 7.53 0.03 . 1 . . . . 297 ALA H . 4289 1 425 . 1 1 61 61 ALA HA H 1 4.13 0.03 . 1 . . . . 297 ALA HA . 4289 1 426 . 1 1 61 61 ALA HB1 H 1 1.48 0.03 . 1 . . . . 297 ALA HB1 . 4289 1 427 . 1 1 61 61 ALA HB2 H 1 1.48 0.03 . 1 . . . . 297 ALA HB2 . 4289 1 428 . 1 1 61 61 ALA HB3 H 1 1.48 0.03 . 1 . . . . 297 ALA HB3 . 4289 1 429 . 1 1 62 62 LYS N N 15 117.6 0.1 . 1 . . . . 298 LYS N . 4289 1 430 . 1 1 62 62 LYS H H 1 7.73 0.03 . 1 . . . . 298 LYS H . 4289 1 431 . 1 1 62 62 LYS HA H 1 4.11 0.03 . 1 . . . . 298 LYS HA . 4289 1 432 . 1 1 62 62 LYS HB2 H 1 2.00 0.03 . 1 . . . . 298 LYS HB2 . 4289 1 433 . 1 1 62 62 LYS HB3 H 1 2.00 0.03 . 1 . . . . 298 LYS HB3 . 4289 1 434 . 1 1 62 62 LYS HG2 H 1 1.43 0.03 . 1 . . . . 298 LYS HG2 . 4289 1 435 . 1 1 62 62 LYS HG3 H 1 1.43 0.03 . 1 . . . . 298 LYS HG3 . 4289 1 436 . 1 1 62 62 LYS HD2 H 1 1.68 0.03 . 2 . . . . 298 LYS HD2 . 4289 1 437 . 1 1 62 62 LYS HD3 H 1 1.64 0.03 . 2 . . . . 298 LYS HD3 . 4289 1 438 . 1 1 62 62 LYS HE2 H 1 2.96 0.03 . 1 . . . . 298 LYS HE2 . 4289 1 439 . 1 1 62 62 LYS HE3 H 1 2.96 0.03 . 1 . . . . 298 LYS HE3 . 4289 1 440 . 1 1 63 63 LEU N N 15 118.1 0.1 . 1 . . . . 299 LEU N . 4289 1 441 . 1 1 63 63 LEU H H 1 8.20 0.03 . 1 . . . . 299 LEU H . 4289 1 442 . 1 1 63 63 LEU HA H 1 4.05 0.03 . 1 . . . . 299 LEU HA . 4289 1 443 . 1 1 63 63 LEU HB2 H 1 1.81 0.03 . 2 . . . . 299 LEU HB2 . 4289 1 444 . 1 1 63 63 LEU HB3 H 1 1.73 0.03 . 2 . . . . 299 LEU HB3 . 4289 1 445 . 1 1 63 63 LEU HD11 H 1 0.94 0.03 . 2 . . . . 299 LEU HD11 . 4289 1 446 . 1 1 63 63 LEU HD12 H 1 0.94 0.03 . 2 . . . . 299 LEU HD12 . 4289 1 447 . 1 1 63 63 LEU HD13 H 1 0.94 0.03 . 2 . . . . 299 LEU HD13 . 4289 1 448 . 1 1 63 63 LEU HD21 H 1 0.89 0.03 . 2 . . . . 299 LEU HD21 . 4289 1 449 . 1 1 63 63 LEU HD22 H 1 0.89 0.03 . 2 . . . . 299 LEU HD22 . 4289 1 450 . 1 1 63 63 LEU HD23 H 1 0.89 0.03 . 2 . . . . 299 LEU HD23 . 4289 1 451 . 1 1 64 64 LYS N N 15 116.0 0.1 . 1 . . . . 300 LYS N . 4289 1 452 . 1 1 64 64 LYS H H 1 7.72 0.03 . 1 . . . . 300 LYS H . 4289 1 453 . 1 1 64 64 LYS HA H 1 4.14 0.03 . 1 . . . . 300 LYS HA . 4289 1 454 . 1 1 64 64 LYS HB2 H 1 1.89 0.03 . 1 . . . . 300 LYS HB2 . 4289 1 455 . 1 1 64 64 LYS HB3 H 1 1.89 0.03 . 1 . . . . 300 LYS HB3 . 4289 1 456 . 1 1 64 64 LYS HG2 H 1 1.56 0.03 . 2 . . . . 300 LYS HG2 . 4289 1 457 . 1 1 64 64 LYS HG3 H 1 1.48 0.03 . 2 . . . . 300 LYS HG3 . 4289 1 458 . 1 1 64 64 LYS HD2 H 1 1.70 0.03 . 1 . . . . 300 LYS HD2 . 4289 1 459 . 1 1 64 64 LYS HD3 H 1 1.70 0.03 . 1 . . . . 300 LYS HD3 . 4289 1 460 . 1 1 64 64 LYS HE2 H 1 3.00 0.03 . 1 . . . . 300 LYS HE2 . 4289 1 461 . 1 1 64 64 LYS HE3 H 1 3.00 0.03 . 1 . . . . 300 LYS HE3 . 4289 1 462 . 1 1 65 65 GLY N N 15 104.6 0.1 . 1 . . . . 301 GLY N . 4289 1 463 . 1 1 65 65 GLY H H 1 7.87 0.03 . 1 . . . . 301 GLY H . 4289 1 464 . 1 1 65 65 GLY HA2 H 1 4.08 0.03 . 2 . . . . 301 GLY HA2 . 4289 1 465 . 1 1 65 65 GLY HA3 H 1 3.90 0.03 . 2 . . . . 301 GLY HA3 . 4289 1 466 . 1 1 66 66 ILE N N 15 118.7 0.1 . 1 . . . . 302 ILE N . 4289 1 467 . 1 1 66 66 ILE H H 1 7.60 0.03 . 1 . . . . 302 ILE H . 4289 1 468 . 1 1 66 66 ILE HA H 1 4.17 0.03 . 1 . . . . 302 ILE HA . 4289 1 469 . 1 1 66 66 ILE HB H 1 1.91 0.03 . 1 . . . . 302 ILE HB . 4289 1 470 . 1 1 66 66 ILE HG21 H 1 0.95 0.03 . 1 . . . . 302 ILE HG21 . 4289 1 471 . 1 1 66 66 ILE HG22 H 1 0.95 0.03 . 1 . . . . 302 ILE HG22 . 4289 1 472 . 1 1 66 66 ILE HG23 H 1 0.95 0.03 . 1 . . . . 302 ILE HG23 . 4289 1 473 . 1 1 66 66 ILE HG12 H 1 1.61 0.03 . 2 . . . . 302 ILE HG12 . 4289 1 474 . 1 1 66 66 ILE HG13 H 1 1.20 0.03 . 2 . . . . 302 ILE HG13 . 4289 1 475 . 1 1 66 66 ILE HD11 H 1 0.83 0.03 . 1 . . . . 302 ILE HD11 . 4289 1 476 . 1 1 66 66 ILE HD12 H 1 0.83 0.03 . 1 . . . . 302 ILE HD12 . 4289 1 477 . 1 1 66 66 ILE HD13 H 1 0.83 0.03 . 1 . . . . 302 ILE HD13 . 4289 1 478 . 1 1 67 67 ARG N N 15 128.5 0.1 . 1 . . . . 303 ARG N . 4289 1 479 . 1 1 67 67 ARG H H 1 8.09 0.03 . 1 . . . . 303 ARG H . 4289 1 480 . 1 1 67 67 ARG HA H 1 4.17 0.03 . 1 . . . . 303 ARG HA . 4289 1 481 . 1 1 67 67 ARG HB2 H 1 1.87 0.03 . 2 . . . . 303 ARG HB2 . 4289 1 482 . 1 1 67 67 ARG HB3 H 1 1.85 0.03 . 2 . . . . 303 ARG HB3 . 4289 1 483 . 1 1 67 67 ARG HG2 H 1 1.75 0.03 . 2 . . . . 303 ARG HG2 . 4289 1 484 . 1 1 67 67 ARG HG3 H 1 1.64 0.03 . 2 . . . . 303 ARG HG3 . 4289 1 485 . 1 1 67 67 ARG HD2 H 1 3.22 0.03 . 1 . . . . 303 ARG HD2 . 4289 1 486 . 1 1 67 67 ARG HD3 H 1 3.22 0.03 . 1 . . . . 303 ARG HD3 . 4289 1 stop_ save_